AG00BESA

213772-01-1 | 4-[Benzyl(tert-butoxycarbonyl)amino]butanoic acid

AG00BESA

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CAS Number	213772-01-1
Catalog Number	AG00BESA(AGN-PC-03QCU5)
Chemical Name	4-[Benzyl(tert-butoxycarbonyl)amino]butanoic acid
IUPAC Name	4-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
InChI	InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17(11-7-10-14(18)19)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,18,19)
InChI Key	PCKHPPARUKMUTN-UHFFFAOYSA-N
MDL Number	MFCD08059842
Molecular Formula	C16H23NO4
Molecular Weight	293.3581
SMILES	C(=O)(OC(C)(C)C)N(CCCC(O)=O)CC1C=CC=CC=1
Synonyms	213772-01-1, 4-[BENZYL(TERT-BUTOXYCARBONYL)AMINO]BUTANOIC ACID, CHEMBRDG-BB 4011737, 4-(Benzyl(tert-butoxycarbonyl)amino)butanoic acid, SCHEMBL5736847, CTK4E6607, DTXSID70626357, PCKHPPARUKMUTN-UHFFFAOYSA-N, ZX-CM003762, MFCD08059842, ZINC19089454, AKOS022184999, FCH1625740, ACM213772011, AJ-71187, Y-3416, 4011737-25G, 4011737-50G, N-benzyl-N-(t-butoxy-carbonyl)-4-amino-1-butanoic acid, 4011737-100G, N-benzyl-N-(t-butoxy -carbonyl)-4-amino-1-butanoic acid, 4-[Benzyl(tert-butoxycarbonyl)amino]butanoic acid, AldrichCPR, Butanoic acid, 4-[[(1,1-dimethylethoxy)carbonyl](phenylmethyl)amino]-, CHEMBRDG-BB4011737,

Complexity	343
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	293.163g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	293.363g/mol
Monoisotopic Mass	293.163g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302
Packing Group	\N
Precautionary statements	P301+P312+P330
UN Code	\N

Certificate of Analysis

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